Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.39 |
| ▸ | CES2 | O00748 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.32 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.31 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL182305 | 0.85 | CES1 (0.52) | CES1CES2TSHRALDH1A1TP53 | |
| SCHEMBL4247190 | 0.80 | ALOX15 (0.33) | TSHR | |
| SCHEMBL11270109 | 0.78 | CES2 (0.55) | CES1CES2TSHRALDH1A1AKR1B1 | |
| SCHEMBL3249506 | 0.77 | AKR1B1 (0.39) | CES1CES2TSHRFAAHALDH1A1 | |
| SCHEMBL8719599 | 0.76 | CES2 (0.56) | CES1CES2TSHRALDH1A1AKR1B1 | |
| SCHEMBL182418 | 0.76 | CES2 (0.56) | CES1CES2TSHRALDH1A1AKR1B1 | |
| SCHEMBL11511121 | 0.76 | CES2 (0.56) | CES1CES2TSHRALDH1A1AKR1B1 | |
| SCHEMBL10785837 | 0.76 | CES2 (0.54) | CES1CES2TSHRFAAHALDH1A1 | |
| SCHEMBL4742971 | 0.76 | TSHR (0.46) | CES1CES2TSHRFAAHALDH1A1 | |
| SCHEMBL17635459 | 0.74 | CES1 (0.46) | CES1CES2TSHRALDH1A1TP53 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1385870-B1 | PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORP (US) | 2010-03-17 | — | — | EP | disclosed |